N-[(4-ethoxyphenyl)methyl]-N-methyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(4-ethoxybenzyl)-4-keto-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C22H23N3O3S/c1-4-12-25-21(27)18-11-8-16(13-19(18)23-22(25)29)20(26)24(3)14-15-6-9-17(10-7-15)28-5-2/h4,6-11,13H,1,5,12,14H2,2-3H3,(H,23,29)